2,3-bis(prop-2-enyl)-2,3-dihydropyridine

C11H15N — CID 67802550

IUPAC2,3-bis(prop-2-enyl)-2,3-dihydropyridine
SMILESC=CCC1C=CC=NC1CC=C
InChIInChI=1S/C11H15N/c1-3-6-10-8-5-9-12-11(10)7-4-2/h3-5,8-11H,1-2,6-7H2
InChIKeyWSUCVRGESOLLNJ-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.76
Rot. Bonds4

About 2,3-bis(prop-2-enyl)-2,3-dihydropyridine

2,3-bis(prop-2-enyl)-2,3-dihydropyridine (PubChem CID 67802550) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2,3-bis(prop-2-enyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2,3-bis(prop-2-enyl)-2,3-dihydropyridine
PubChem CID67802550
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2,3-bis(prop-2-enyl)-2,3-dihydropyridine
SMILESC=CCC1C=CC=NC1CC=C
InChIInChI=1S/C11H15N/c1-3-6-10-8-5-9-12-11(10)7-4-2/h3-5,8-11H,1-2,6-7H2
InChIKeyWSUCVRGESOLLNJ-UHFFFAOYSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Azabicyclo[3.2.1]octa-2,6-diene
CID 12471325
2,3-Diethyl-2,3-dihydropyridine
CID 53814937
2-Propyl-2,3-dihydropyridine
CID 68521817
4-Methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 172628097
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
CID 164667482
3-Fluoro-2-propan-2-yl-2,3-dihydropyridine
CID 144060454
2-(4,6-Difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine
CID 164766148
7,7a-dihydro-4aH-cyclopenta[b]pyridine
CID 20067303
4a,5,6,7,8,8a-Hexahydroquinoline
CID 20587581
5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
CID 49760373
2-Cyclopentyl-2,5-dihydropyridine
CID 53805936

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-2-enyl)-2,3-dihydropyridine?
The IUPAC name of 2,3-bis(prop-2-enyl)-2,3-dihydropyridine (CID 67802550) is 2,3-bis(prop-2-enyl)-2,3-dihydropyridine.
What is the SMILES notation for 2,3-bis(prop-2-enyl)-2,3-dihydropyridine?
The canonical SMILES for 2,3-bis(prop-2-enyl)-2,3-dihydropyridine is C=CCC1C=CC=NC1CC=C.
What is the InChIKey of 2,3-bis(prop-2-enyl)-2,3-dihydropyridine?
The InChIKey is WSUCVRGESOLLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-6-10-8-5-9-12-11(10)7-4-2/h3-5,8-11H,1-2,6-7H2.
What are the key properties of 2,3-bis(prop-2-enyl)-2,3-dihydropyridine?
2,3-bis(prop-2-enyl)-2,3-dihydropyridine has a molecular weight of 161.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-2-enyl)-2,3-dihydropyridine is sourced from PubChem (CID 67802550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).